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| CAS No.: | 63141-09-3 |
|---|---|
| Name: | Ethanone, 1-(1-chlorocyclopropyl)- |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C5H7ClO |
| Molecular Weight: | 118.563 |
| Synonyms: | 1-(1-Chlorocyclopropyl)ethanone; |
| Density: | 1.16 g/cm3 |
| Boiling Point: | 150.3 °C at 760 mmHg |
| Flash Point: | 49.8 °C |
| PSA: | 17.07000 |
| LogP: | 1.34680 |
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- Total:36 Page 1 of 1 1
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Specification
The CAS registry number of Ethanone, 1-(1-chlorocyclopropyl)- is 63141-09-3. Its molecular formula is C5H7ClO and molecular weight is 118.562. Its systematic name is called 1-(1-chlorocyclopropyl)ethanone.
Physical properties about Ethanone, 1-(1-chlorocyclopropyl)- are: (1)ACD/LogP: 0.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.21; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.96; (8)ACD/KOC (pH 7.4): 30.96; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 28.1 cm3; (14)Molar Volume: 101.4 cm3; (15)Surface Tension: 31.8 dyne/cm; (16)Density: 1.16 g/cm3; (17)Flash Point: 49.8 °C; (18)Enthalpy of Vaporization: 38.71 kJ/mol; (19)Boiling Point: 150.3 °C at 760 mmHg; (20)Vapour Pressure: 3.87 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)C1(Cl)CC1
(2)InChI: InChI=1/C5H7ClO/c1-4(7)5(6)2-3-5/h2-3H2,1H3
(3)InChIKey: KADOHHPNWMXGNG-UHFFFAOYAY